Methyl 3,12-dihydroxycholan-24-oate
methyl 4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
Also Known As: Methyl deoxycholate|Methyl desoxycholate|Methyl 7-Deoxycholate|Deoxycholic Acid Methyl Ester|Methyl 3,12-dihydroxycholan-24-oate|EINECS 221-819-1|Methyl 3-alpha,12-alpha-dihydroxy-5-beta-cholan-24-oate|Cholan-24-oic acid, 3,12-dihydroxy-, methyl ester, (3.alpha.,5.beta.,12.alpha.)-|Cholan-24-oic acid, 3,12-dihydroxy-, methyl ester, (3alpha,5beta,12alpha)- (9CI)|methyl 4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate|methyl 4-{5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0?,?.0??,??]heptadecan-14-yl}pentanoate|methyl 4-{5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl}pentanoate
| Molecular Formula | C25H42O4 |
|---|---|
| Molecular Weight | 406.30832 g/mol |
| LogP | 4.57 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.30832 |
| Heavy Atoms | 29 |
| Complexity | 619.9 |
Chemical Identifiers
| CAS Number | 3245-38-3 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C |
Product Overview
Methyl 3,12-dihydroxycholan-24-oate (CAS 3245-38-3), with molecular formula C25H42O4 and molecular weight 406.30832 g/mol. IUPAC: methyl 4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate.
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